N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine

C17H13ClFN3 — CID 45481380

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(N/N=C/c2cccc(Cl)c2)c2cc(F)ccc2n1
InChIInChI=1S/C17H13ClFN3/c1-11-7-17(15-9-14(19)5-6-16(15)21-11)22-20-10-12-3-2-4-13(18)8-12/h2-10H,1H3,(H,21,22)/b20-10+
InChIKeyYITJFYQOUYEQNP-KEBDBYFISA-N
MW313.76 g/mol
LogP4.78
Rot. Bonds3

About N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine

N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine (PubChem CID 45481380) has the molecular formula C17H13ClFN3 and a molecular weight of 313.76 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine
PubChem CID45481380
Molecular FormulaC17H13ClFN3
Molecular Weight313.76 g/mol
Exact Mass313.08
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(N/N=C/c2cccc(Cl)c2)c2cc(F)ccc2n1
InChIInChI=1S/C17H13ClFN3/c1-11-7-17(15-9-14(19)5-6-16(15)21-11)22-20-10-12-3-2-4-13(18)8-12/h2-10H,1H3,(H,21,22)/b20-10+
InChIKeyYITJFYQOUYEQNP-KEBDBYFISA-N
XLogP4.78
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
CID 44537201
N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
CID 44537203
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
6-ethoxy-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
CID 45480710
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 44537110
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092
N-[(E)-(4-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481253
N-[(E)-(4-chlorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481194
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine (CID 45481380) is N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine is Cc1cc(N/N=C/c2cccc(Cl)c2)c2cc(F)ccc2n1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine?
The InChIKey is YITJFYQOUYEQNP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H13ClFN3/c1-11-7-17(15-9-14(19)5-6-16(15)21-11)22-20-10-12-3-2-4-13(18)8-12/h2-10H,1H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine?
N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine has a molecular weight of 313.76 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 45481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).